BioLiP

PDB

BioLiP

PDB CCD ID:

0TO

Number of entries in BioLiP:

Chemical formula:

C16 H14 Cl N3 O2

InChI:

InChI=1S/C16H14ClN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)

InChIKey:

GFNNBHLJANVSQV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)Cl
CACTVS 3.370	COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC
ACDLabs 12.01	Clc1cccc(c1)Nc3ncnc2c3cc(OC)c(OC)c2

Name:

N-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine

ChEMBL:

CHEMBL7917

ZINC:

ZINC000000116937

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).